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Compound Detail

CHEMBL4096103

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Fc1ccc2sc3c(c2c1)CCN(Cc1ccncc1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096103
Phase Preclinical
Structure Type MOL
InChI Key QTFHBRSCMGHNIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.99
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN2S
MW 298.39
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
28350999 10.1016/j.ejmech.2017.03.037 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine